2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide

C17H17N5O3 — CID 173118833

IUPAC2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide
SMILESNC(=O)c1ccccc1CC(O)C(=O)Nc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C17H17N5O3/c18-15(24)11-4-2-1-3-9(11)7-14(23)16(25)20-10-5-6-12-13(8-10)22-17(19)21-12/h1-6,8,14,23H,7H2,(H2,18,24)(H,20,25)(H3,19,21,22)
InChIKeyYKMBRCVKSIOIFF-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.79
Rot. Bonds5

About 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide

2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide (PubChem CID 173118833) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide
PubChem CID173118833
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide
SMILESNC(=O)c1ccccc1CC(O)C(=O)Nc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C17H17N5O3/c18-15(24)11-4-2-1-3-9(11)7-14(23)16(25)20-10-5-6-12-13(8-10)22-17(19)21-12/h1-6,8,14,23H,7H2,(H2,18,24)(H,20,25)(H3,19,21,22)
InChIKeyYKMBRCVKSIOIFF-UHFFFAOYSA-N
XLogP0.79
TPSA147.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide?
The IUPAC name of 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide (CID 173118833) is 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide.
What is the SMILES notation for 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide?
The canonical SMILES for 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide is NC(=O)c1ccccc1CC(O)C(=O)Nc1ccc2nc(N)[nH]c2c1.
What is the InChIKey of 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide?
The InChIKey is YKMBRCVKSIOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-15(24)11-4-2-1-3-9(11)7-14(23)16(25)20-10-5-6-12-13(8-10)22-17(19)21-12/h1-6,8,14,23H,7H2,(H2,18,24)(H,20,25)(H3,19,21,22).
What are the key properties of 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide?
2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide has a molecular weight of 339.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide is sourced from PubChem (CID 173118833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).